1-(4-{4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-1-yl}piperidin-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethan-1-one
Chemical Structure Depiction of
1-(4-{4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-1-yl}piperidin-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethan-1-one
1-(4-{4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-1-yl}piperidin-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethan-1-one
Compound characteristics
| Compound ID: | S454-0475 |
| Compound Name: | 1-(4-{4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-1-yl}piperidin-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethan-1-one |
| Molecular Weight: | 464.45 |
| Molecular Formula: | C21 H23 F3 N6 O3 |
| Smiles: | CC(C)c1nc(c2cn(C3CCN(CC3)C(Cc3ccc(cc3)OC(F)(F)F)=O)nn2)on1 |
| Stereo: | ACHIRAL |
| logP: | 4.1452 |
| logD: | 4.1452 |
| logSw: | -4.1019 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 79.979 |
| InChI Key: | PETRHDIDWBESCY-UHFFFAOYSA-N |